N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide

C16H22N4O2 — CID 113103473

IUPACN-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C16H22N4O2/c1-12(21)17-13-2-4-14(5-3-13)18-16(22)20-10-8-19(9-11-20)15-6-7-15/h2-5,15H,6-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyZVSICWHZDVNLCG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.96
Rot. Bonds3

About N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide

N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide (PubChem CID 113103473) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
PubChem CID113103473
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C16H22N4O2/c1-12(21)17-13-2-4-14(5-3-13)18-16(22)20-10-8-19(9-11-20)15-6-7-15/h2-5,15H,6-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyZVSICWHZDVNLCG-UHFFFAOYSA-N
XLogP1.96
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
methyl 4-[(4-cyclohexylpiperazine-1-carbonyl)amino]benzoate
CID 113104639
N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109653
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
4-cyclopropyl-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide
CID 167970460
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide (CID 113103473) is N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide is CC(=O)Nc1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide?
The InChIKey is ZVSICWHZDVNLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(21)17-13-2-4-14(5-3-13)18-16(22)20-10-8-19(9-11-20)15-6-7-15/h2-5,15H,6-11H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide?
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide is sourced from PubChem (CID 113103473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).